Crystallography Open Database

Information card for entry 7003850

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Structure parameters

Formula	C32 H26 F12 N6 P2 Ru
Calculated formula	C32 H26 F12 N6 P2 Ru
SMILES	c1cccc2c3cccc[n]3[Ru]345([n]12)[n]1ccccc1c1cccc(CCc2cccc(c6cccc[n]56)[n]42)[n]31.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
Title of publication	Physical, photophysical and structural properties of ruthenium(ii) complexes containing a tetradentate bipyridine ligand
Authors of publication	Kirgan, R. A.; Witek, P. A.; Moore, C.; Rillema, D. P.
Journal of publication	Dalton Transactions
Year of publication	2008
Journal issue	24
Pages of publication	3189 - 3198
a	10.347 ± 0.0004 Å
b	25.3692 ± 0.0009 Å
c	12.2177 ± 0.0004 Å
α	90°
β	90.221 ± 0.002°
γ	90°
Cell volume	3207.1 ± 0.2 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1181
Residual factor for significantly intense reflections	0.0516
Weighted residual factors for significantly intense reflections	0.0812
Weighted residual factors for all reflections included in the refinement	0.102
Goodness-of-fit parameter for all reflections included in the refinement	1
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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